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Chemical ID: 5783228
Chemical ID:
5783228
Name [?]:
N'-(2-hydroxyethyl)-N-(tetrahydrofuran-2-ylmethyl)oxamide
SMILES [?]:
C1CC(OC1)CNC(=O)C(=O)NCCO
InChi [?]:
InChI=1/C9H16N2O4/c12-4-3-10-8(13)9(14)11-6-7-2-1-5-15-7/h7,12H,1-6H2,(H,10,13)(H,11,14)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,5,6,3,10,8,12,7,15,11,9,4/rA:15cCCCOCCNCOCONCCO/rB:s1;s2;s3;s1s4;s3;s6;s7;d8;s8;d10;s10;s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.12255 |
Area: | 417.529 |
Solvation: | -4.31568 |
Coulombic: | -70.1361 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 216.234 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -1.46 |
LogP (Chemaxon): | -1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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